Geometry & MOs

Info

ID:	77259
PubChem CID:	48425985
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	6.74
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[2-(diethylamino)-2-oxoethyl]-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations