Geometry & MOs

Info

ID:	255911
PubChem CID:	103135583
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	20.55
Dipole, Da:	4.81
IP(EA), eV:	-9.0(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CCC1=CC=CO1)C2=NN(C=C2)C

DOS

IR

Vibrations