Geometry & MOs

Info

ID:	172077
PubChem CID:	75463764
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-13.65
Dipole, Da:	0.69
IP(EA), eV:	-9.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N,N-diethyl-3-(4-methylphenyl)pent-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)N(C)C(=O)C2=CC=C(C=C2)OCC3=NC=CN3C

DOS

IR

Vibrations