Geometry & MOs

Info

ID:	65266
PubChem CID:	29211822
Reduced:	N7H19C21 (1)
Stoich.:	A7B19C21 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	198.11
Dipole, Da:	6.14
IP(EA), eV:	-8.98(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N2C=CC=N2)C3=NC4=CNN(C4=N3)CC5=CC=NC=C5)C

DOS

IR

Vibrations