Geometry & MOs

Info

ID:	238435
PubChem CID:	92741163
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	3.76
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CC4=CC=CC=N4)C5=CC=CO5)C

DOS

IR

Vibrations