Geometry & MOs

Info

ID:	55682
PubChem CID:	17395814
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	8.21
IP(EA), eV:	-8.99(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(C)C(=O)NC2=NOC(=C2)C)OC

DOS

IR

Vibrations