Geometry & MOs

Info

ID:	382676
PubChem CID:	134973981
Reduced:	NOC30H39 (1)
Stoich.:	ABC30D39 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	5.06
IP(EA), eV:	-8.5(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10S,12S)-14-benzyl-13-ethoxy-12-methyl-8,14-diazatetracyclo[8.6.0.01,12.02,7]hexadeca-2,4,6-trien-9-one

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H]2CCCCC2=C(C1=O)[C@H](CC(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations