Geometry & MOs

Info

ID:	252405
PubChem CID:	103111145
Reduced:	O3N4C11H20 (1)
Stoich.:	A3B4C11D20 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-96.74
Dipole, Da:	4.74
IP(EA), eV:	-10.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCCCO)CN

DOS

IR

Vibrations