Geometry & MOs

Info

ID:	245947
PubChem CID:	103030819
Reduced:	N3C17H25 (1)
Stoich.:	A3B17C25 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	29.03
Dipole, Da:	4.83
IP(EA), eV:	-9.05(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CCC1=CC=NN1C)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations