Geometry & MOs

Info

ID:	260771
PubChem CID:	103203232
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	70.78
Dipole, Da:	5.43
IP(EA), eV:	-8.96(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-butan-2-yloxyanilino)methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations