Geometry & MOs

Info

ID:	378859
PubChem CID:	134224960
Reduced:	PO6C16H35 (1)
Stoich.:	AB6C16D35 (1)
Weight, g/mol:	552.399919
ΔH_f, kcal/mol:	-408.09
Dipole, Da:	2.14
IP(EA), eV:	-9.63(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpentan-3-ylideneamino) N-[4-[3-(6-aminohexyl)-2,4,6-trioxo-5-propan-2-yl-1,3,5-triazinan-1-yl]-2,4-dimethylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)OCCC(C)(C)OP(=O)(O)OC(C)(C)CCOC(C)C

DOS

IR

Vibrations