Geometry & MOs

Info

ID:	430720
PubChem CID:	135170787
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	14.46
Dipole, Da:	5.32
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CN=C4

DOS

IR

Vibrations