Geometry & MOs

Info

ID:	438240
PubChem CID:	135227934
Reduced:	FN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	306.04801
ΔH_f, kcal/mol:	8.13
Dipole, Da:	3.12
IP(EA), eV:	-8.43(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-4-(3,5-dimethyltriazol-4-yl)-6-methylphenyl]ethanimine

Drug info:

PubChemData

Smile

CN1CC(=C(C=C1)C(C2=CC=CC=C2)N)F

DOS

IR

Vibrations