Geometry & MOs

Info

ID:	151963
PubChem CID:	56310797
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	3.22
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-(quinolin-5-ylamino)propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2(CCCCCC2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations