Geometry & MOs

Info

ID:	312874
PubChem CID:	126609364
Reduced:	IN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	742.520428
ΔH_f, kcal/mol:	70.21
Dipole, Da:	1.41
IP(EA), eV:	-8.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl (2R)-5-(2,2-dimethylhydrazinyl)-5-oxo-2-[4,7,10-tris[2-(2-methylpropoxy)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]pentanoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C3=NC=NC(=C3C(=N2)I)N

DOS

IR

Vibrations