Geometry & MOs

Info

ID:	357962
PubChem CID:	127295462
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-72.19
Dipole, Da:	3.75
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(oxan-3-ylmethyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN(C)CC3CCCOC3)C#N

DOS

IR

Vibrations