Geometry & MOs

Info

ID:	170526
PubChem CID:	75247715
Reduced:	SiO3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-142.93
Dipole, Da:	2.2
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl)-(2-oxa-6-azatricyclo[3.3.1.13,7]decan-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C=C[Si](C)(C)C)OC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations