Geometry & MOs

Info

ID:	252389
PubChem CID:	103111032
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	214.121846
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	9.94
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)NCC2=C(C(=CC=C2)N)C

DOS

IR

Vibrations