Geometry & MOs

Info

ID:	415100
PubChem CID:	135088086
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	5.62
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[6-(dimethylamino)pyridine-3-carbonyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4)Cl

DOS

IR

Vibrations