Geometry & MOs

Info

ID:	437932
PubChem CID:	135227327
Reduced:	FON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	401.257946
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	1.19
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-4-amino-6-methylimino-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-en-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CCC1CC(C(C1F)N2C=NC3=C(N=CN=C32)NC)O

DOS

IR

Vibrations