Geometry & MOs

Info

ID:	238407
PubChem CID:	92741051
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-133.98
Dipole, Da:	9.64
IP(EA), eV:	-8.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CCCOC)C3=CC=CO3)C(=O)NC4CCCCC4

DOS

IR

Vibrations