Geometry & MOs

Info

ID:	331860
PubChem CID:	127250146
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	428.14601
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	5.11
IP(EA), eV:	-8.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazin-2-yl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations