Geometry & MOs

Info

ID:	393124
PubChem CID:	135019470
Reduced:	PN2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	508.247441
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	9.46
IP(EA), eV:	-8.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[3-(azetidin-1-ylmethyl)phenyl]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide

Drug info:

PubChemData

Smile

CCO/C(=N\N(C(=O)OCC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/[O-]

DOS

IR

Vibrations