Geometry & MOs

Info

ID:	127148
PubChem CID:	50992846
Reduced:	BrNSiO3C27H36 (1)
Stoich.:	ABCD3E27F36 (1)
Weight, g/mol:	585.242611
ΔH_f, kcal/mol:	-139.56
Dipole, Da:	1.22
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[6-methoxy-4-methyl-2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-yl]amino]pentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC(=C)C[C@]1(C2=C(C=C(C=C2)Br)N(C1=O)CC3=CC=CC=C3)O

DOS

IR

Vibrations