Geometry & MOs

Info

ID:	179998
PubChem CID:	76564593
Reduced:	ON7C21H29 (1)
Stoich.:	AB7C21D29 (1)
Weight, g/mol:	385.259009
ΔH_f, kcal/mol:	60.76
Dipole, Da:	2.33
IP(EA), eV:	-8.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)phenyl]-4-N-(2-methoxyethyl)-4-N-methyl-6-N-(5-methylpyrazolidin-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=CC(=NC(=N2)C3=CC=CC4=C3OC=C4)N(C)CCN(C)C

DOS

IR

Vibrations