Geometry & MOs

Info

ID:	445622
PubChem CID:	135268598
Reduced:	ClN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	448.171082
ΔH_f, kcal/mol:	-103.08
Dipole, Da:	6.31
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CCNC1=C(N(C(=N1)OC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)Cl)C(=O)NCCCO

DOS

IR

Vibrations