Geometry & MOs

Info

ID:	238390
PubChem CID:	92741018
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-95.29
Dipole, Da:	2.99
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC=C2C(=O)N1CC3=CC=CO3)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations