Geometry & MOs

Info

ID:	421645
PubChem CID:	135116351
Reduced:	O4N7C27H33 (1)
Stoich.:	A4B7C27D33 (1)
Weight, g/mol:	356.125133
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	2.08
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CC4=CN=CC=C4

DOS

IR

Vibrations