Geometry & MOs

Info

ID:	308510
PubChem CID:	125333303
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-1.61
Dipole, Da:	9.08
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,9aR)-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