Geometry & MOs

Info

ID:	358101
PubChem CID:	127295646
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	5.17
IP(EA), eV:	-9.37(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations