Geometry & MOs

Info

ID:	158224
PubChem CID:	56463185
Reduced:	ON2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	3.1
IP(EA), eV:	-8.43(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC4=C(NC(=O)NC4=O)N=C3

DOS

IR

Vibrations