Geometry & MOs

Info

ID:	238461
PubChem CID:	92741275
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	489.226371
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	2.07
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(1,3-benzodioxol-5-ylmethyl)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CCN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCC4)C5=CC=CO5

DOS

IR

Vibrations