Geometry & MOs

Info

ID:	431422
PubChem CID:	135171497
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	4.62
IP(EA), eV:	-9.67(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-amino-2-methylphenyl)-2-methoxyphenyl]-5-bromo-4-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=N)C1CCC(CC1)O

DOS

IR

Vibrations