Geometry & MOs

Info

ID:	155879
PubChem CID:	56368067
Reduced:	BrN2O2C21H33 (1)
Stoich.:	AB2C2D21E33 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-157.21
Dipole, Da:	6.29
IP(EA), eV:	-9.57(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

DOS

IR

Vibrations