Geometry & MOs

Info

ID:	176350
PubChem CID:	76036605
Reduced:	BrN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	696.450223
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	2.62
IP(EA), eV:	-9.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl(benzyl)amino]-N-benzyl-2-(11,18-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C2=NC=C(O2)CBr

DOS

IR

Vibrations