Geometry & MOs

Info

ID:	380661
PubChem CID:	134971181
Reduced:	C10H11 (2)
Stoich.:	A10B11 (2)
Weight, g/mol:	789.36789
ΔH_f, kcal/mol:	32.01
Dipole, Da:	1.07
IP(EA), eV:	-8.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-N-[4-[(S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(1-methoxybenzo[g]phthalazin-4-yl)oxymethyl]quinolin-6-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C2C=CC=CC2=CC3=CC=CC=C31)C(C)(C)C

DOS

IR

Vibrations