Geometry & MOs

Info

ID:	358896
PubChem CID:	127296787
Reduced:	ON7C19H33 (1)
Stoich.:	AB7C19D33 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	5.44
IP(EA), eV:	-8.74(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-4-cyclopropylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1CCC2)NC(=O)N3CCN(CC3)CC4CCCCN4C

DOS

IR

Vibrations