Geometry & MOs

Info

ID:	174071
PubChem CID:	75719017
Reduced:	NOC9H16 (2)
Stoich.:	ABC9D16 (2)
Weight, g/mol:	373.163771
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	2.72
IP(EA), eV:	-9.29(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC(C)(C)CC(C)(C)C)N(C)C(=O)C(=C)C

DOS

IR

Vibrations