Geometry & MOs

Info

ID:	238393
PubChem CID:	92741022
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	2.88
IP(EA), eV:	-8.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCCC4)C5=CC=CO5

DOS

IR

Vibrations