Geometry & MOs

Info

ID:	302596
PubChem CID:	124385245
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	153.126598
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	3.41
IP(EA), eV:	-9.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CN=C(C=C1)Cl)C(=O)C

DOS

IR

Vibrations