Geometry & MOs

Info

ID:	305429
PubChem CID:	124807206
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	19.28
Dipole, Da:	3.42
IP(EA), eV:	-8.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2S,5'R,6'R)-N-(4-methylcyclohexyl)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N2C[C@@H](CN3C(=CC=N3)C2)CNC4=CC=CC=N4

DOS

IR

Vibrations