Geometry & MOs

Info

ID:	126563
PubChem CID:	50968130
Reduced:	N6H18C19 (1)
Stoich.:	A6B18C19 (1)
Weight, g/mol:	380.182396
ΔH_f, kcal/mol:	119.9
Dipole, Da:	3.71
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]-N-(2,4,6-trimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=C(N=CN2CCC3=NC=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations