Geometry & MOs

Info

ID:	234109
PubChem CID:	92297748
Reduced:	FON6C32H33 (1)
Stoich.:	ABC6D32E33 (1)
Weight, g/mol:	546.31071
ΔH_f, kcal/mol:	41.25
Dipole, Da:	6.21
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-[benzyl-[(4-propan-2-ylphenyl)methyl]amino]-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C4CCCC4)N(CCC5=CC=CC=C5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations