Geometry & MOs

Info

ID:	238469
PubChem CID:	92741361
Reduced:	FN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	1.83
IP(EA), eV:	-8.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC=C2C(=O)N1CC3=CC(=CC=C3)F)C4=CC=CO4)C(=O)NC5CCCCCC5

DOS

IR

Vibrations