Geometry & MOs

Info

ID:	325668
PubChem CID:	126684411
Reduced:	ClO6N10C44H63 (1)
Stoich.:	AB6C10D44E63 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	-224.71
Dipole, Da:	8.81
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(aminomethoxy)-2,3-dimethylbutan-2-yl]oxyhexanal

Drug info:

PubChemData

Smile

CCCCCCN(CCCC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC3=C(C=C2)C=C(C=C3)CCCCN=C(N)NC(=O)C4=C(N=C(C(=N4)Cl)N)N)N)CC[C@H]([C@@H]([C@@H](CO)O)O)O

DOS

IR

Vibrations