Geometry & MOs

Info

ID:	415537
PubChem CID:	135088533
Reduced:	N6O7C34H44 (1)
Stoich.:	A6B7C34D44 (1)
Weight, g/mol:	367.150761
ΔH_f, kcal/mol:	-261.17
Dipole, Da:	10.18
IP(EA), eV:	-8.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CC4=C(N3)C=CC(=C4)OC)C=C2)C

DOS

IR

Vibrations