Geometry & MOs

Info

ID:	438236
PubChem CID:	135227930
Reduced:	FN4H15C20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	82.03
Dipole, Da:	4.57
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(E)-2-(3,5-dimethyltriazol-4-yl)prop-1-enyl]-4-methylimidazol-1-yl]-(oxan-4-yl)methyl]pyridine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN=C2N(C3=CC=CC=C3)C4=C(C=CC=N4)F

DOS

IR

Vibrations