Geometry & MOs

Info

ID:	308509
PubChem CID:	125333302
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	7.34
IP(EA), eV:	-8.45(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)C(=O)N[C@@H]3CCCC4=C5C=C(C=CC5=N[C@H]34)OC

DOS

IR

Vibrations