Geometry & MOs

Info

ID:	44408
PubChem CID:	10503403
Reduced:	NO7C24H29 (1)
Stoich.:	AB7C24D29 (1)
Weight, g/mol:	443.173273
ΔH_f, kcal/mol:	-257.16
Dipole, Da:	2.59
IP(EA), eV:	-8.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,4-dimethoxyphenyl)-3-oxo-3-phenylpropyl]-3,4-dihydro-1H-1-benzazepine-2,5-dione

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

DOS

IR

Vibrations