Geometry & MOs

Info

ID:	421260
PubChem CID:	135115660
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	4.75
IP(EA), eV:	-8.02(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=CN=CC(=N3)N(C)C)O

DOS

IR

Vibrations