Geometry & MOs

Info

ID:	430741
PubChem CID:	135170808
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	18.63
Dipole, Da:	5.53
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=NC=C4

DOS

IR

Vibrations