Geometry & MOs

Info

ID:	290461
PubChem CID:	104575671
Reduced:	N2C19H36 (1)
Stoich.:	A2B19C36 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-54.99
Dipole, Da:	2.98
IP(EA), eV:	-8.53(2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1(C2CNCC2CN1CC3CCC(CC3)C(C)(C)C)C

DOS

IR

Vibrations