Geometry & MOs

Info

ID:	417882
PubChem CID:	135102960
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	2.26
IP(EA), eV:	-9.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C(C2=CC=C(C=C2)Cl)C(C)C

DOS

IR

Vibrations