Geometry & MOs

Info

ID:	358124
PubChem CID:	127295669
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	6.33
IP(EA), eV:	-8.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(4-phenylbutan-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations