Geometry & MOs

Info

ID:	185162
PubChem CID:	77263495
Reduced:	O2N8C27H30 (1)
Stoich.:	A2B8C27D30 (1)
Weight, g/mol:	446.24571
ΔH_f, kcal/mol:	81.02
Dipole, Da:	5.26
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-(2-methyl-3-trityloxypropoxy)butanoic acid

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC(=O)N2CCC3=NN(C=C3C2)C4=CC=CC=C4)C)C5=NC=C(C=C5)C6=NC=NO6

DOS

IR

Vibrations