Geometry & MOs

Info

ID:	238397
PubChem CID:	92741029
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	5.01
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=C(N2C[C@]1(C)C(=O)NC3CCCCC3)C4=CC=CO4

DOS

IR

Vibrations