Geometry & MOs

Info

ID:	358208
PubChem CID:	127295753
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-127.08
Dipole, Da:	3.75
IP(EA), eV:	-9.15(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=C(N=CC=C2)OC3CCCC3

DOS

IR

Vibrations