Geometry & MOs

Info

ID:	266209
PubChem CID:	103558909
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	343.08954
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1C(=O)CC2(CCC2)OC

DOS

IR

Vibrations