Geometry & MOs

Info

ID:	167374
PubChem CID:	74817121
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	423.218287
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	3.03
IP(EA), eV:	-9.17(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(5-fluoropyridin-2-yl)methyl]-4-N-[5-[2-(3-methoxyphenyl)ethyl]pyrazolidin-3-yl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NO2)C3CC4CC4N3C(=O)OC(C)(C)C

DOS

IR

Vibrations