Geometry & MOs

Info

ID:	375395
PubChem CID:	131500185
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	-47.84
Dipole, Da:	8.54
IP(EA), eV:	-10.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])[C@@H](C(C)O)N

DOS

IR

Vibrations