Geometry & MOs

Info

ID:	302411
PubChem CID:	124361645
Reduced:	NO7C25H29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-286.91
Dipole, Da:	3.32
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC1=CC(=C2C(=C1)OC3=C(C=CC=C3C2=O)C)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations