Geometry & MOs

Info

ID:	242956
PubChem CID:	99214458
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	8.38
IP(EA), eV:	-8.4(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)/C=C/C2=CC(=C(C=C2)OCC)OCC

DOS

IR

Vibrations