Geometry & MOs

Info

ID:	18227
PubChem CID:	538962
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-22.92
Dipole, Da:	4.72
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methylpyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)NC(=O)C(C)C

DOS

IR

Vibrations