Geometry & MOs

Info

ID:	162006
PubChem CID:	57393299
Reduced:	ClN4H13C21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	441.116794
ΔH_f, kcal/mol:	148.31
Dipole, Da:	3.69
IP(EA), eV:	-9.16(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-N-[2-(dimethylamino)pyrimidin-4-yl]anilino)methyl]-7,8-difluoro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(N=C2)Cl)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations