Geometry & MOs

Info

ID:	201061
PubChem CID:	79484351
Reduced:	NC9H15 (2)
Stoich.:	AB9C15 (2)
Weight, g/mol:	263.145619
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	3.15
IP(EA), eV:	-8.48(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(5-ethylthiophen-2-yl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCC(CC)N(CC(C)C)C1CC2=CC=CC=C2C1N

DOS

IR

Vibrations