Geometry & MOs

Info

ID:	234131
PubChem CID:	92297792
Reduced:	ClO2N6C30H31 (1)
Stoich.:	AB2C6D30E31 (1)
Weight, g/mol:	536.269988
ΔH_f, kcal/mol:	50.32
Dipole, Da:	5.47
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[benzyl-[(4-fluorophenyl)methyl]amino]-(1-cyclohexyltetrazol-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=NN3C4CCCCC4)N(CC5=CC=C(C=C5)Cl)CC6=CC=CO6

DOS

IR

Vibrations