Geometry & MOs

Info

ID:	363520
PubChem CID:	127311599
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	5.53
IP(EA), eV:	-8.61(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-4-(5-methyl-1,3-benzoxazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4=CC=C(S4)C

DOS

IR

Vibrations