Geometry & MOs

Info

ID:	77267
PubChem CID:	48425996
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	9.16
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyano-N-[2-(diethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)/C(=C\C1=C(N(C(=C1)C)CCC(C)C)C)/C#N

DOS

IR

Vibrations