Geometry & MOs

Info

ID:	335876
PubChem CID:	127254738
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-53.73
Dipole, Da:	3.57
IP(EA), eV:	-8.81(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C3CCN(CC3)C(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations