Geometry & MOs

Info

ID:	352367
PubChem CID:	127283454
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-66.64
Dipole, Da:	2.95
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations