Geometry & MOs

Info

ID:	167042
PubChem CID:	74771742
Reduced:	N3O4H17C22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	427.171891
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	3.16
IP(EA), eV:	-8.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)OCC#N

DOS

IR

Vibrations