Geometry & MOs

Info

ID:	415719
PubChem CID:	135088719
Reduced:	ON7C19H25 (1)
Stoich.:	AB7C19D25 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	20.22
Dipole, Da:	3.97
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations