Geometry & MOs

Info

ID:	179999
PubChem CID:	76564628
Reduced:	ON7C20H31 (1)
Stoich.:	AB7C20D31 (1)
Weight, g/mol:	430.24811
ΔH_f, kcal/mol:	35.77
Dipole, Da:	5.16
IP(EA), eV:	-8.48(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-methylpyrazolidin-3-yl)-6-N-(oxan-4-yl)-2-(4-phenylphenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=CC(=NC(=N2)C3=CC=CC=C3N(C)C)N(C)CCOC

DOS

IR

Vibrations