Geometry & MOs

Info

ID:	81869
PubChem CID:	49855277
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	405.161246
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	3.11
IP(EA), eV:	-8.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyclopropyl-2-methoxyethyl)-6-[[6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-5-oxopyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1OC)C)NC2=NC(=CN(C2=O)C(COC)C3CC3)Cl

DOS

IR

Vibrations