Geometry & MOs

Info

ID:	423688
PubChem CID:	135119999
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-165.45
Dipole, Da:	7.89
IP(EA), eV:	-8.93(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(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

C1C[C@H]([C@]2(C1)CCCN(C2)CCCCC(=O)O)O

DOS

IR

Vibrations