Geometry & MOs

Info

ID:	448676
PubChem CID:	135292757
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	528.2584
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	0.51
IP(EA), eV:	-8.75(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[dihydroxy-[4-(morpholin-4-ylmethyl)phenyl]methyl]amino]-6-formylphenyl]methyl-methylamino]-4-hydroxy-N-methyl-5-oxopentanamide

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations