Geometry & MOs

Info

ID:	362895
PubChem CID:	127309724
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	6.42
Dipole, Da:	1.47
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1CNC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations