Geometry & MOs

Info

ID:	253109
PubChem CID:	103116088
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	14.28
Dipole, Da:	7.14
IP(EA), eV:	-8.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-aminophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCSC1=CC(=C(C=C1)N)NC(=O)C2=NN(C=C2)C

DOS

IR

Vibrations