Geometry & MOs

Info

ID:	245833
PubChem CID:	103024142
Reduced:	BrOSN2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	29.95
Dipole, Da:	3.71
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations