Geometry & MOs

Info

ID:	238474
PubChem CID:	92741368
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	480.310041
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	6.71
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=O)C2=CC=C(N2C[C@]1(C)C(=O)NC3CCCCCC3)C4=CC=CO4

DOS

IR

Vibrations