Geometry & MOs

Info

ID:	73396
PubChem CID:	48417610
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	378.144038
ΔH_f, kcal/mol:	-27.54
Dipole, Da:	0.57
IP(EA), eV:	-9.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)propanoyl]-5-aminopyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CN1CC(CC1=O)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations