Geometry & MOs

Info

ID:	422873
PubChem CID:	135118545
Reduced:	ClN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-161.72
Dipole, Da:	3.16
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCN(CC2)C(=O)[C@H]3CCCO3

DOS

IR

Vibrations