Geometry & MOs

Info

ID:	419993
PubChem CID:	135110666
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	6.11
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-(1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CNC=C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations