Geometry & MOs

Info

ID:	190170
PubChem CID:	77961188
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	2.06
IP(EA), eV:	-8.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethyl-5-(trifluoromethoxy)phenyl]-5-[4-methyl-3-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]pyrazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)NC(C(C)C)C(=O)N)OC

DOS

IR

Vibrations