Geometry & MOs

Info

ID:	447432
PubChem CID:	135282838
Reduced:	IN2O3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	367.187147
ΔH_f, kcal/mol:	-122.89
Dipole, Da:	7.75
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)I)OC[C@@H](C)CC(C)(C)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations