Geometry & MOs

Info

ID:	357938
PubChem CID:	127295438
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	4.17
IP(EA), eV:	-8.69(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations