Geometry & MOs

Info

ID:	304594
PubChem CID:	124756426
Reduced:	OS2N7C14H21 (1)
Stoich.:	AB2C7D14E21 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	37.64
Dipole, Da:	4.97
IP(EA), eV:	-8.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)NC(=O)CN2CCC[C@@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations