Geometry & MOs

Info

ID:	152075
PubChem CID:	56310927
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	471.248169
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	4.72
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C2CCN(C2=O)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations