Geometry & MOs

Info

ID:	421821
PubChem CID:	135116671
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	372.146741
ΔH_f, kcal/mol:	-6.35
Dipole, Da:	2.71
IP(EA), eV:	-8.77(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations