Geometry & MOs

Info

ID:	435258
PubChem CID:	135186892
Reduced:	OC22H26 (1)
Stoich.:	AB22C26 (1)
Weight, g/mol:	347.210996
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	1.65
IP(EA), eV:	-8.61(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1CC2=C(C1OC)C=C3CCCC3=C2C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations