Geometry & MOs

Info

ID:	436862
PubChem CID:	135212396
Reduced:	N3H15C22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	121.88
Dipole, Da:	5.19
IP(EA), eV:	-8.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-cyclohexylpropan-2-yl]-N-(5-oxo-2H-furan-3-yl)formamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C4=C(C5=CC=CC=C5N4)N=C3C6=CC=CC=C62

DOS

IR

Vibrations