Geometry & MOs

Info

ID:	446530
PubChem CID:	135275690
Reduced:	BrNC6H10 (1)
Stoich.:	ABC6D10 (1)
Weight, g/mol:	496.304956
ΔH_f, kcal/mol:	11.13
Dipole, Da:	3.5
IP(EA), eV:	-9.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-[1-[3-amino-4-[ethyl(methylamino)amino]-2-methylphenyl]-3-methoxy-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

C=CC(=C)CC(N)Br

DOS

IR

Vibrations