Geometry & MOs

Info

ID:	423808
PubChem CID:	135120307
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	368.1139
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	5.14
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=NN(C4=CC=CC=C43)C

DOS

IR

Vibrations