Geometry & MOs

Info

ID:	311249
PubChem CID:	126590051
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	416.10994
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	5.37
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-bromo-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2[C@H]3C=CC(=O)[C@@H]2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)N6CCOCC6

DOS

IR

Vibrations