Geometry & MOs

Info

ID:	356907
PubChem CID:	127292515
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	4.26
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(C)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations