Geometry & MOs

Info

ID:	255371
PubChem CID:	103131624
Reduced:	ClN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	43.5
Dipole, Da:	2.78
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-3-(1-methylpyrazol-3-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCCNCC1=C(C=C(C=C1)C2=NN(C=C2)C)Cl

DOS

IR

Vibrations