Geometry & MOs

Info

ID:	430987
PubChem CID:	135171057
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	7.78
Dipole, Da:	2.0
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-1,5,6,7-tetrahydropyrano[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=C(C=C2)OC=N3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations