Geometry & MOs

Info

ID:	74158
PubChem CID:	48421529
Reduced:	ClN2O4C17H27 (1)
Stoich.:	AB2C4D17E27 (1)
Weight, g/mol:	377.253923
ΔH_f, kcal/mol:	-185.37
Dipole, Da:	5.68
IP(EA), eV:	-8.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N(C)CC(COCCOC(C)C)O)Cl

DOS

IR

Vibrations