Geometry & MOs

Info

ID:	184708
PubChem CID:	77195028
Reduced:	SO2N6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	30.04
Dipole, Da:	5.81
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl)ethyl]cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2CN(C2)C(=O)C3CNNC3C4=CC=CC=C4)C(=O)C5=NC=CS5

DOS

IR

Vibrations