Geometry & MOs

Info

ID:	255645
PubChem CID:	103133714
Reduced:	ClSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-173.65
Dipole, Da:	9.76
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2C)S(=O)(=O)Cl)C

DOS

IR

Vibrations