Geometry & MOs

Info

ID:	323453
PubChem CID:	126674871
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	453.237604
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	2.21
IP(EA), eV:	-8.99(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-N-[(1S,2S)-2-[(3,5-dimethoxyphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)COC2CCCC2)C

DOS

IR

Vibrations