Geometry & MOs

Info

ID:	169467
PubChem CID:	75106540
Reduced:	ClN2O2C15H25 (1)
Stoich.:	AB2C2D15E25 (1)
Weight, g/mol:	366.182254
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	4.12
IP(EA), eV:	-9.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)pyrrolidin-2-yl]-(3-methylimidazol-4-yl)methanone;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)C1CCCN1C(=O)C2CC3CCCCC3N2.Cl

DOS

IR

Vibrations