Geometry & MOs

Info

ID:	357877
PubChem CID:	127295377
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	397.159076
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	4.42
IP(EA), eV:	-8.92(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations