Geometry & MOs

Info

ID:	419720
PubChem CID:	135108865
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	4.67
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyphenyl)phenyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations