Geometry & MOs

Info

ID:	357932
PubChem CID:	127295432
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	5.05
IP(EA), eV:	-8.94(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations