Geometry & MOs

Info

ID:	143472
PubChem CID:	53213910
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	4.3
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC=N3)CC(=O)O

DOS

IR

Vibrations