Geometry & MOs

Info

ID:	190443
PubChem CID:	78007452
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	337.226646
ΔH_f, kcal/mol:	45.82
Dipole, Da:	2.86
IP(EA), eV:	-7.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(3-aminoprop-2-enylidene)-5-methylidene-1H-pyrrol-3-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C=C1C(=CC=CN)C(=CN1)CC2=CN=C(C=C2)NCCN3CCOCC3

DOS

IR

Vibrations