Geometry & MOs

Info

ID:	152876
PubChem CID:	56311956
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-124.42
Dipole, Da:	7.87
IP(EA), eV:	-8.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(carbamoylamino)-2-oxo-1-phenylethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations