Geometry & MOs

Info

ID:	234122
PubChem CID:	92297773
Reduced:	ClO3N6C29H29 (1)
Stoich.:	AB3C6D29E29 (1)
Weight, g/mol:	540.240437
ΔH_f, kcal/mol:	21.12
Dipole, Da:	8.65
IP(EA), eV:	-9.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(1-tert-butyltetrazol-5-yl)-[(4-chlorophenyl)methyl-(2-phenylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C[C@H]4CCCO4)N(CC5=CC=CC=C5Cl)CC6=CC=CO6

DOS

IR

Vibrations