Geometry & MOs

Info

ID:	259626
PubChem CID:	103169829
Reduced:	NOSC16H27 (1)
Stoich.:	ABCD16E27 (1)
Weight, g/mol:	293.246713
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	3.13
IP(EA), eV:	-8.83(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxycyclobutyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CC(C1)OCC)C2=C(SC=C2)C

DOS

IR

Vibrations