Geometry & MOs

Info

ID:	362340
PubChem CID:	127307405
Reduced:	O3N5C15H29 (1)
Stoich.:	A3B5C15D29 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	-129.54
Dipole, Da:	5.26
IP(EA), eV:	-8.46(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCN(CC2)C(=O)COC)C

DOS

IR

Vibrations