Geometry & MOs

Info

ID:	210271
PubChem CID:	80783516
Reduced:	O3N4C10H14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-37.66
Dipole, Da:	6.9
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

CNC1=C(C(=CC=C1)NCC(=O)NC)[N+](=O)[O-]

DOS

IR

Vibrations