Geometry & MOs

Info

ID:	418131
PubChem CID:	135103641
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	5.7
IP(EA), eV:	-9.16(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(isoquinoline-3-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations