Geometry & MOs

Info

ID:	162275
PubChem CID:	57394157
Reduced:	ClN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	4.99
IP(EA), eV:	-8.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-pyridin-3-ylspiro[3,5-dihydro-2H-[1,4]diazepino[1,2-a]indole-4,1'-cyclopropane]-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC3=C(C=C2)NC(=O)C4=C(CO3)C=C(O4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations