Geometry & MOs

Info

ID:	150038
PubChem CID:	53789723
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	428.117067
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	2.13
IP(EA), eV:	-10.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[4-[[4,6-diamino-3-(4-chlorophenyl)pyridin-2-yl]methylamino]phenyl]butan-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)C=C(O1)C(=O)OCC2=CN=CC=C2)C

DOS

IR

Vibrations