Geometry & MOs

Info

ID:	244756
PubChem CID:	99381426
Reduced:	ClO3N6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	488.197904
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	12.64
IP(EA), eV:	-8.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CN=CC=C2)CCC(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations