Geometry & MOs

Info

ID:	77257
PubChem CID:	48425983
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-99.79
Dipole, Da:	2.63
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[2-(diethylamino)-2-oxoethyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C(C)N1C(=C)C2=CC=CC=C2C1=O

DOS

IR

Vibrations