Geometry & MOs

Info

ID:	354180
PubChem CID:	127286144
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	6.44
IP(EA), eV:	-8.0(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations