Geometry & MOs

Info

ID:	135886
PubChem CID:	51952749
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	4.09
IP(EA), eV:	-8.54(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCN1CC2=CC=CC=C2C[C@H]1C(=O)N3CCCC3

DOS

IR

Vibrations