Geometry & MOs

Info

ID:	357931
PubChem CID:	127295431
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	4.98
IP(EA), eV:	-9.33(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2,3-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations