Geometry & MOs

Info

ID:	182191
PubChem CID:	76856394
Reduced:	ON2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	101.79
Dipole, Da:	6.66
IP(EA), eV:	-9.37(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)CCC(=O)NC3=CC=CC(=C3)C#N)C=C1

DOS

IR

Vibrations