Geometry & MOs

Info

ID:	330514
PubChem CID:	127247921
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	8.26
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,3-dihydroindol-1-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)C(=O)N3CCN(CC(C3)C(=O)NC)C)C

DOS

IR

Vibrations