Geometry & MOs

Info

ID:	448665
PubChem CID:	135292636
Reduced:	IN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	489.260071
ΔH_f, kcal/mol:	38.68
Dipole, Da:	0.74
IP(EA), eV:	-8.56(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[[2-[2-[[2-[[(Z)-3-aminoprop-2-enylidene]amino]acetyl]-methylamino]ethyl-methylamino]-8-methylquinolin-3-yl]methyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)I)CC2=CC=CC=C2

DOS

IR

Vibrations