Geometry & MOs

Info

ID:	435775
PubChem CID:	135192378
Reduced:	Cl2O2N9C28H29 (1)
Stoich.:	A2B2C9D28E29 (1)
Weight, g/mol:	341.085494
ΔH_f, kcal/mol:	55.84
Dipole, Da:	3.29
IP(EA), eV:	-8.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[N-amino-4-chloro-2-(6-methoxypyrimidin-4-yl)anilino]-3,3-difluoroprop-1-en-2-amine

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC=CC(=N2)C3=C(C=NN3C)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(\N)/Cl)N

DOS

IR

Vibrations