Geometry & MOs

Info

ID:	152287
PubChem CID:	56311186
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	4.83
IP(EA), eV:	-8.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations