Geometry & MOs

Info

ID:	238475
PubChem CID:	92741387
Reduced:	O3N4C28H40 (1)
Stoich.:	A3B4C28D40 (1)
Weight, g/mol:	481.30529
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	4.14
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CCN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCCCC4)C5=CC=CO5

DOS

IR

Vibrations