Geometry & MOs

Info

ID:	255813
PubChem CID:	103134881
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	75.24
Dipole, Da:	3.03
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations