Geometry & MOs

Info

ID:	307221
PubChem CID:	125292609
Reduced:	O2N6C25H34 (1)
Stoich.:	A2B6C25D34 (1)
Weight, g/mol:	450.274324
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	4.09
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-[(3S)-4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethyl-1,3-dihydropyrazol-2-yl]-5,6-dimethyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=NC(=NC1=O)N2[C@H](C(=C(N2)C)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C

DOS

IR

Vibrations