Geometry & MOs

Info

ID:	415950
PubChem CID:	135088952
Reduced:	N2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	79.46
Dipole, Da:	1.58
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5-methoxyphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations