Geometry & MOs

Info

ID:	431224
PubChem CID:	135171294
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	405.252861
ΔH_f, kcal/mol:	28.03
Dipole, Da:	2.34
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=NC=CS2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations