Geometry & MOs

Info

ID:	347636
PubChem CID:	127272502
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	9.03
IP(EA), eV:	-8.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3=NC4=C(S3)CN(CC4)C)O)C

DOS

IR

Vibrations