Geometry & MOs

Info

ID:	352028
PubChem CID:	127282946
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-175.7
Dipole, Da:	9.65
IP(EA), eV:	-9.03(-0.72)
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]propanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34)O)C

DOS

IR

Vibrations