Geometry & MOs

Info

ID:	51671
PubChem CID:	12014380
Reduced:	NOC27H27 (1)
Stoich.:	ABC27D27 (1)
Weight, g/mol:	367.193614
ΔH_f, kcal/mol:	23.89
Dipole, Da:	2.75
IP(EA), eV:	-8.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-2-phenylethanol

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O)N2CC3C(C2)C4C5=CC=CC=C5C3C6=CC=CC=C46

DOS

IR

Vibrations