Geometry & MOs

Info

ID:	305578
PubChem CID:	124960841
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	3.74
IP(EA), eV:	-8.42(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-1-[3-(1H-indol-3-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CN(CCN(C1)C(=O)CCC2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations