Geometry & MOs

Info

ID:	281954
PubChem CID:	103914595
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	245.119798
ΔH_f, kcal/mol:	17.17
Dipole, Da:	2.06
IP(EA), eV:	-8.58(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(C)C2=CNN=C2

DOS

IR

Vibrations