Geometry & MOs

Info

ID:	152870
PubChem CID:	56311950
Reduced:	N2O3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-174.08
Dipole, Da:	5.91
IP(EA), eV:	-8.53(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-(quinolin-8-ylmethyl)piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NNC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations