Geometry & MOs

Info

ID:	426536
PubChem CID:	135145760
Reduced:	O2N9C38H41 (1)
Stoich.:	A2B9C38D41 (1)
Weight, g/mol:	341.01637
ΔH_f, kcal/mol:	67.01
Dipole, Da:	7.32
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromo-2-methylanilino)-1,7-naphthyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CNC[C@@H](C)O)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CC[C@H](C7)O)C

DOS

IR

Vibrations