Geometry & MOs

Info

ID:	139477
PubChem CID:	52539012
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	309.145282
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	4.66
IP(EA), eV:	-8.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)NC[C@H](C3=CC(=CC=C3)OC)N(C)C

DOS

IR

Vibrations