Geometry & MOs

Info

ID:	168292
PubChem CID:	74945993
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-106.68
Dipole, Da:	2.39
IP(EA), eV:	-8.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylethyl)-3-[[6-methoxy-2-(trifluoromethyl)pyridin-3-yl]amino]-5-prop-2-enylpyrazin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1CC2=C(N=C3C=C4C(=CC3=C2)OCO4)N

DOS

IR

Vibrations