Geometry & MOs

Info

ID:	436807
PubChem CID:	135211754
Reduced:	BrClFNH4C6 (1)
Stoich.:	ABCDE4F6 (1)
Weight, g/mol:	591.32094
ΔH_f, kcal/mol:	-22.95
Dipole, Da:	1.62
IP(EA), eV:	-9.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[6-(3-methoxyphenyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CN=C1Cl)Br)F

DOS

IR

Vibrations