Geometry & MOs

Info

ID:	233445
PubChem CID:	90944510
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	494.268176
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	4.29
IP(EA), eV:	-7.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-[3-[3-[ethyl(pentyl)amino]phenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

Drug info:

PubChemData

Smile

C1CC1CN2C(=C(N(C2=O)C34CC5CC(C3)CC(C5)C4)O)CCCC(=O)NO

DOS

IR

Vibrations