Geometry & MOs

Info

ID:	238467
PubChem CID:	92741350
Reduced:	N3O4C26H37 (1)
Stoich.:	A3B4C26D37 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-154.64
Dipole, Da:	5.67
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=CC=C(N2C[C@]1(C)C(=O)NC3CCCCCC3)C4=CC=CO4

DOS

IR

Vibrations