Geometry & MOs

Info

ID:	358144
PubChem CID:	127295689
Reduced:	O3N5C19H35 (1)
Stoich.:	A3B5C19D35 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	3.49
IP(EA), eV:	-8.66(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1-cyclopropylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)NCC(C)(C)N2CCCCC2

DOS

IR

Vibrations