Geometry & MOs

Info

ID:	51670
PubChem CID:	12014379
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	381.209264
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	3.8
IP(EA), eV:	-8.91(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-1-phenylpropan-1-ol

Drug info:

PubChemData

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C[C@@H]([C@@H](C1=CC=CC=C1)O)N2CC3C4CCC(C3C2)CC4

DOS

IR

Vibrations