Geometry & MOs

Info

ID:

307874

PubChem CID:

125310326

Reduced:

N4O4H22C25 (1)

Stoich.:

A4B4C22D25 (1)

Weight, g/mol:

554.289306

ΔHf, kcal/mol:

31.66

Dipole, Da:

9.37

IP(EA), eV:

 -8.76(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,9aR)-1-[4-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C(C)[C@H]2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations