Geometry & MOs

Info

ID:	30030
PubChem CID:	838988
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-148.25
Dipole, Da:	5.49
IP(EA), eV:	-9.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(4-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanol

Drug info:

PubChemData

Smile

CC[C@]1(C[C@@](CCO1)(CC(=O)O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations