Geometry & MOs

Info

ID:	245948
PubChem CID:	103030820
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	35.84
Dipole, Da:	4.07
IP(EA), eV:	-9.08(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethylthiophen-2-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(CCC2=CC=NN2C)N

DOS

IR

Vibrations