Geometry & MOs

Info

ID:	38374
PubChem CID:	8034016
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	385.222864
ΔH_f, kcal/mol:	9.13
Dipole, Da:	5.08
IP(EA), eV:	-8.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C([C@@H](N2C(=N1)N=CN2)C(C)C)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations