Geometry & MOs

Info

ID:	122922
PubChem CID:	50826712
Reduced:	ON4H24C26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	49.78
Dipole, Da:	3.98
IP(EA), eV:	-8.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]-N-pentylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations