Geometry & MOs

Info

ID:	446538
PubChem CID:	135275783
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	544.341341
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	3.79
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4E,6E)-8-amino-7-[amino(ethyl)amino]-4-methyl-3-[2-(2,3,5,6-tetramethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]nona-4,6,8-trienoate

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC(=C1C)C)C)C

DOS

IR

Vibrations