Geometry & MOs

Info

ID:	422830
PubChem CID:	135118484
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	338.103335
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	7.05
IP(EA), eV:	-8.19(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(4-chlorobenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)C

DOS

IR

Vibrations