Geometry & MOs

Info

ID:	238462
PubChem CID:	92741321
Reduced:	N3O5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-130.43
Dipole, Da:	2.85
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4)C5=CC=CO5)C(=O)NC6CCCCCC6

DOS

IR

Vibrations