Geometry & MOs

Info

ID:	238555
PubChem CID:	92741890
Reduced:	ClO3N4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	5.16
IP(EA), eV:	-8.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-10-acetamido-N-cyclopentyl-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@@](CN2C3=CC=CC=C31)(C)C(=O)NC4CCCC4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations