Geometry & MOs

Info

ID:	238470
PubChem CID:	92741364
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	5.78
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(2R)-butan-2-yl]-N-cycloheptyl-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)N1CC3=CC=CC=N3)C4=CC=CO4)C(=O)NC5CCCCCC5

DOS

IR

Vibrations