Geometry & MOs

Info

ID:	295586
PubChem CID:	117535461
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	4.74
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxyphenyl)-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=CN=CN2CCC(=O)O

DOS

IR

Vibrations