Geometry & MOs

Info

ID:	152671
PubChem CID:	56311700
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	404.242356
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	3.15
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations