Geometry & MOs

Info

ID:	358209
PubChem CID:	127295754
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	3.44
IP(EA), eV:	-9.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations