Geometry & MOs

Info

ID:	420754
PubChem CID:	135114766
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	-59.37
Dipole, Da:	4.38
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=CN=C(C=C2)N3CC[C@]([C@H](C3)O)(CC4=CC=CC=C4)C(=O)O)C

DOS

IR

Vibrations