Geometry & MOs

Info

ID:	354381
PubChem CID:	127286625
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	323.232125
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	2.97
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NCC3=CN=C(C=C3)OC(C)C

DOS

IR

Vibrations