Geometry & MOs

Info

ID:	429531
PubChem CID:	135169580
Reduced:	N3H8C9F11 (1)
Stoich.:	A3B8C9D11 (1)
Weight, g/mol:	263.093773
ΔH_f, kcal/mol:	-535.16
Dipole, Da:	1.6
IP(EA), eV:	-10.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-but-1-en-2-yltriazol-2-yl)-5-chloro-N-methylpyridin-3-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C(=C(F)F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations