Geometry & MOs

Info

ID:	252518
PubChem CID:	103111934
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-143.78
Dipole, Da:	4.31
IP(EA), eV:	-9.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)(CN1C(=C(N=N1)C(=O)OCCOC)C)O

DOS

IR

Vibrations