Geometry & MOs

Info

ID:	430740
PubChem CID:	135170807
Reduced:	SN2O3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	5.14
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3CCN(CC3)C(=O)C(C)C)N=C

DOS

IR

Vibrations