Geometry & MOs

Info

ID:	441689
PubChem CID:	135240656
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	416.193629
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	3.74
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-propan-2-yl-4-[2-[2-(trifluoromethyl)phenyl]pyrazolidin-1-yl]pyrido[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)CC1CN(CCC1(C2=CC=CC(=C2)C(=O)N)O)CCC3=CC=C(C=C3)O

DOS

IR

Vibrations