Geometry & MOs

Info

ID:	255822
PubChem CID:	103134934
Reduced:	SN3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	312.99814
ΔH_f, kcal/mol:	82.58
Dipole, Da:	3.08
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations