Geometry & MOs

Info

ID:	430719
PubChem CID:	135170786
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	4.01
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations