Geometry & MOs

Info

ID:	350320
PubChem CID:	127277398
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-194.1
Dipole, Da:	2.84
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-cyclohexyl-2-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)NC1=O)C(=O)NCC(C2CCCCC2)O

DOS

IR

Vibrations