Geometry & MOs

Info

ID:	168967
PubChem CID:	75047402
Reduced:	BrON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	5.65
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[[2-[4-(dimethylamino)phenyl]pyridin-4-yl]methylideneamino]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CC2=NC3=C(CN2C1CO)C=C(C=C3)Br

DOS

IR

Vibrations