Geometry & MOs

Info

ID:	303312
PubChem CID:	124489494
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-125.61
Dipole, Da:	4.05
IP(EA), eV:	-8.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC[C@@H](CN2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)O

DOS

IR

Vibrations