Geometry & MOs

Info

ID:	445620
PubChem CID:	135268595
Reduced:	ClFO2N4C26H26 (1)
Stoich.:	ABC2D4E26F26 (1)
Weight, g/mol:	458.187163
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	7.05
IP(EA), eV:	-8.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CN1CC=CC=C1C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCCOCC5)F)Cl)O

DOS

IR

Vibrations