Geometry & MOs

Info

ID:	423473
PubChem CID:	135119562
Reduced:	ON7C15H17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	91.27
Dipole, Da:	3.69
IP(EA), eV:	-9.39(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NNN=N2)CNC(=O)CCCN3C=CC=N3

DOS

IR

Vibrations