Geometry & MOs

Info

ID:	237844
PubChem CID:	92721942
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-152.94
Dipole, Da:	3.2
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[3-(diethylamino)propyl]-6-(furan-2-yl)-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C(=CC=C2C(=O)N1CCCOC(C)C)C3=CC=CO3)C

DOS

IR

Vibrations