Geometry & MOs

Info

ID:	358244
PubChem CID:	127295789
Reduced:	N2O3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	3.57
IP(EA), eV:	-8.85(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(2,4-dimethylphenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2(CCCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations