Geometry & MOs

Info

ID:	238416
PubChem CID:	92741070
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	489.262757
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	4.05
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCCC4)C5=CC=CO5

DOS

IR

Vibrations