Geometry & MOs

Info

ID:	426515
PubChem CID:	135144574
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	429.27399
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	6.32
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-cyclohexylpiperazin-1-yl)pyrimidin-5-yl]-(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)C(=O)N3CCC(C3)C4=CC=CC=C4)CC(CO)O

DOS

IR

Vibrations