Geometry & MOs

Info

ID:	157843
PubChem CID:	56437567
Reduced:	N4O6C21H26 (1)
Stoich.:	A4B6C21D26 (1)
Weight, g/mol:	452.169585
ΔH_f, kcal/mol:	-197.1
Dipole, Da:	3.77
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)CCN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations