Geometry & MOs

Info

ID:	371050
PubChem CID:	127342242
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	380.164854
ΔH_f, kcal/mol:	-14.23
Dipole, Da:	5.28
IP(EA), eV:	-9.02(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-yl)-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(CC2)NC(=O)N3CCN(CC3)CC4=NC(=NO4)C

DOS

IR

Vibrations