Geometry & MOs

Info

ID:	418897
PubChem CID:	135107090
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	1.52
IP(EA), eV:	-9.0(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2,7-dimethoxynaphthalen-1-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCC(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations