Geometry & MOs

Info

ID:	431001
PubChem CID:	135171071
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-22.64
Dipole, Da:	1.69
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylamino]cyclohex-3-en-1-yl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC=C(C1)NCC2=CC(=O)NC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations