Geometry & MOs

Info

ID:	358230
PubChem CID:	127295775
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[1-(2-methylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations