Geometry & MOs

Info

ID:	234132
PubChem CID:	92297795
Reduced:	FON6C32H33 (1)
Stoich.:	ABC6D32E33 (1)
Weight, g/mol:	548.289974
ΔH_f, kcal/mol:	43.3
Dipole, Da:	5.88
IP(EA), eV:	-9.19(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[benzyl-[(4-methoxyphenyl)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=CC=C5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations