Geometry & MOs

Info

ID:	418359
PubChem CID:	135104320
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	2.1
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(1-ethyl-6-methyl-2-oxopyridine-3-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2OC)CN3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations