Geometry & MOs

Info

ID:	122401
PubChem CID:	50805002
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	36.85
Dipole, Da:	5.37
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C3N2C=CN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations