Geometry & MOs

Info

ID:	338688
PubChem CID:	127259699
Reduced:	NCl2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-3.14
Dipole, Da:	3.4
IP(EA), eV:	-8.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diethyl-N-[(E)-pyrrol-2-ylidenemethyl]aniline

Drug info:

PubChemData

Smile

CC(=CC/C=C(\C)/CCNC1=C(C=CC(=C1)Cl)Cl)C

DOS

IR

Vibrations