Geometry & MOs

Info

ID:	121311
PubChem CID:	50762582
Reduced:	N2O2C15H16 (2)
Stoich.:	A2B2C15D16 (2)
Weight, g/mol:	514.22162
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	4.2
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-[1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4CC

DOS

IR

Vibrations