Geometry & MOs

Info

ID:	190485
PubChem CID:	78011348
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-116.18
Dipole, Da:	4.3
IP(EA), eV:	-8.08(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(pyridin-4-yl)amino]-1-[5-(propan-2-ylamino)pyrazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2C3N1CC4=C(C3)C=CC(=C4OC)OC)OC)OC

DOS

IR

Vibrations