Geometry & MOs

Info

ID:	344307
PubChem CID:	127267483
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	33.8
Dipole, Da:	8.22
IP(EA), eV:	-9.04(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-bromophenyl)methyl]azetidin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)CNC(=O)C3=NN(C=N3)C(C)(C)C

DOS

IR

Vibrations