Geometry & MOs

Info

ID:	135887
PubChem CID:	51952750
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	3.44
IP(EA), eV:	-9.12(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)CN1CC2=CC=CC=C2C[C@@H]1C(=O)N3CCCC3

DOS

IR

Vibrations