Geometry & MOs

Info

ID:	128057
PubChem CID:	51028961
Reduced:	NOC16H24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	364.038148
ΔH_f, kcal/mol:	-0.58
Dipole, Da:	0.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755594
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6S,7S,8S,12R)-5-(2,4-dichlorophenyl)-10-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC[NH2+][C@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations