Geometry & MOs

Info

ID:	434914
PubChem CID:	135175985
Reduced:	INC10H20 (1)
Stoich.:	ABC10D20 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	4.22
IP(EA), eV:	-8.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-cyclopropyl-2-(4-propan-2-ylpiperazine-1-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)C1CCCN(C1)C(C)I

DOS

IR

Vibrations