Geometry & MOs

Info

ID:	423375
PubChem CID:	135119393
Reduced:	ClO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	5.09
IP(EA), eV:	-9.05(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CN1)C(=O)N2CCCN(CC2)C(=O)C3=NN(C=C3Cl)C

DOS

IR

Vibrations