Geometry & MOs

Info

ID:	415144
PubChem CID:	135088130
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	4.56
IP(EA), eV:	-9.14(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)C2=CC=CN2C(C)C

DOS

IR

Vibrations