Geometry & MOs

Info

ID:	46164
PubChem CID:	10522729
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	1.89
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-4-methyl-1,4-diazepan-6-yl) 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations