Geometry & MOs

Info

ID:	426543
PubChem CID:	135145901
Reduced:	ClO3N8C37H39 (1)
Stoich.:	AB3C8D37E39 (1)
Weight, g/mol:	360.96175
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	4.47
IP(EA), eV:	-8.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CC[C@@](C4)(C)C(=O)O)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C)Cl

DOS

IR

Vibrations