Geometry & MOs

Info

ID:	419083
PubChem CID:	135107453
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	4.09
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

DOS

IR

Vibrations