Geometry & MOs

Info

ID:	85780
PubChem CID:	49879087
Reduced:	OSN4H18C22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	76.15
Dipole, Da:	4.13
IP(EA), eV:	-8.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(quinoxalin-6-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=C(C4=C(S3)N=CC=C4)N5C=CC=C5

DOS

IR

Vibrations