Geometry & MOs

Info

ID:	415300
PubChem CID:	135088292
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	6.71
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)CC2=C(C(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations