Geometry & MOs

Info

ID:	266210
PubChem CID:	103558956
Reduced:	BrO2N3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-36.29
Dipole, Da:	4.22
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-propan-2-ylpyrazol-3-yl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CN(C)CCN1C(=C(C=N1)Br)C(=O)CC2(CCC2)OC

DOS

IR

Vibrations