Geometry & MOs

Info

ID:	152195
PubChem CID:	56311073
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	5.85
IP(EA), eV:	-8.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC(=C2)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations