Geometry & MOs

Info

ID:	255566
PubChem CID:	103133031
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	2.63
IP(EA), eV:	-8.95(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylamino)-1-(1-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)CNC)Cl

DOS

IR

Vibrations