Geometry & MOs

Info

ID:	189107
PubChem CID:	77818911
Reduced:	ClINO4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	250.190595
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	2.66
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(ethylamino)pyrazolidin-4-yl]-N-propan-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=C(C=CC=C2Cl)CCI

DOS

IR

Vibrations