Geometry & MOs

Info

ID:	145484
PubChem CID:	53533831
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	421.059611
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	4.93
IP(EA), eV:	-8.6(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(6,8-dichloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2CC2)NC(=O)CN3CCN(CC3)CCO

DOS

IR

Vibrations