Geometry & MOs

Info

ID:	447047
PubChem CID:	135279797
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	414.119127
ΔH_f, kcal/mol:	34.32
Dipole, Da:	1.36
IP(EA), eV:	-8.95(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[5-[[3-[2-(trifluoromethyl)phenyl]phenyl]methoxy]pyrazin-2-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=NC=C2C=C(C(=O)C(=C2)C)C)C=C(C1=O)C

DOS

IR

Vibrations