Geometry & MOs

Info

ID:	206732
PubChem CID:	80291813
Reduced:	NSF2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	216.114174
ΔH_f, kcal/mol:	-175.88
Dipole, Da:	5.12
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC(CCCO)NC(=O)CSC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations