Geometry & MOs

Info

ID:	140431
PubChem CID:	52695885
Reduced:	BrON5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	426.194343
ΔH_f, kcal/mol:	61.35
Dipole, Da:	2.13
IP(EA), eV:	-7.74(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(1-methylindol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)NC3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations