Geometry & MOs

Info

ID:	330510
PubChem CID:	127247917
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	7.71
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C(=O)N3CCN(CC(C3)C(=O)NC)C

DOS

IR

Vibrations