Geometry & MOs

Info

ID:	234047
PubChem CID:	92297616
Reduced:	O5C19H20 (1)
Stoich.:	A5B19C20 (1)
Weight, g/mol:	538.269239
ΔH_f, kcal/mol:	-165.31
Dipole, Da:	0.88
IP(EA), eV:	-9.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@]12[C@@H](C=C[C@@H]([C@@H]1C(=O)C3=CC=CC=C3C2=O)CC(=O)OC)OC

DOS

IR

Vibrations