Geometry & MOs

Info

ID:	170194
PubChem CID:	75206048
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	455.28964
ΔH_f, kcal/mol:	-104.76
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2N3CCCCC3)OCC(=O)N

DOS

IR

Vibrations