Geometry & MOs

Info

ID:	27201
PubChem CID:	819483
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	4.17
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-(5-formyl-1H-pyrrol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OC2=NC(=CC(=N2)OC)OC)C=O

DOS

IR

Vibrations