Geometry & MOs

Info

ID:	390035
PubChem CID:	134996727
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	39.13
Dipole, Da:	4.15
IP(EA), eV:	-8.54(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,11R,18R)-18-hydroxy-4,5-dimethoxy-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12,14,16-hexaen-10-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=CC=C1)/[N+](=C/C2=CC=CC=C2)/[O-]

DOS

IR

Vibrations