Geometry & MOs

Info

ID:	171893
PubChem CID:	75436965
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	4.04
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-en-2-yl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC(C)CC(=O)C2=CC=CS2)OC)C

DOS

IR

Vibrations