Geometry & MOs

Info

ID:	324066
PubChem CID:	126676868
Reduced:	FN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-158.21
Dipole, Da:	2.81
IP(EA), eV:	-9.39(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,N,2-trimethyl-3-[4-methyl-2-(4-piperazin-1-ylanilino)pyrimidin-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCO[C@H]1CC1NC(=O)C2=CN(C(=O)C(=C2)C(=O)NC)CC3=CC(=CC=C3)F

DOS

IR

Vibrations