Geometry & MOs

Info

ID:	207329
PubChem CID:	80379488
Reduced:	NF2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	0.81
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-ethyl-N-(3-methylbutyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC2=C(C=CC=C2F)F)NC

DOS

IR

Vibrations