Geometry & MOs

Info

ID:	431419
PubChem CID:	135171494
Reduced:	BrON2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	379.108754
ΔH_f, kcal/mol:	7.73
Dipole, Da:	5.66
IP(EA), eV:	-9.05(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-(methylamino)phenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/CN1CCCC1)\C=C/C(=C)C(=O)NC2=C(C(=CC=C2)Br)C

DOS

IR

Vibrations