Geometry & MOs

Info

ID:	184378
PubChem CID:	77154021
Reduced:	N4O9C10H12 (1)
Stoich.:	A4B9C10D12 (1)
Weight, g/mol:	571.188373
ΔH_f, kcal/mol:	-393.29
Dipole, Da:	3.43
IP(EA), eV:	-11.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-[4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(oxan-4-ylamino)propan-1-one;dihydrochloride

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1C2C(C(=O)NC(=O)N2)C(=O)O)C(=O)O.O

DOS

IR

Vibrations