Geometry & MOs

Info

ID:	190873
PubChem CID:	78070704
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	682.311498
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	2.56
IP(EA), eV:	-9.92(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dibenzyl-N-(1,3-dihydroxypropan-2-yl)-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-12-carboxamide

Drug info:

PubChemData

Smile

CC(=C)CC(CC(C)(C=C)O)O

DOS

IR

Vibrations