Geometry & MOs

Info

ID:	438220
PubChem CID:	135227914
Reduced:	F2N7H19C21 (1)
Stoich.:	A2B7C19D21 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	58.51
Dipole, Da:	8.03
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethyltriazol-4-yl)-2-propan-2-ylphenyl]butan-2-imine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)N)NC(C3=C(C=CC=N3)F)C4=C(C=CC=N4)F

DOS

IR

Vibrations