Geometry & MOs

Info

ID:	423550
PubChem CID:	135119717
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	3.88
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)CN3CC(C3)C4=CC=CC=N4

DOS

IR

Vibrations