Geometry & MOs

Info

ID:	448469
PubChem CID:	135291160
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	581.549543
ΔH_f, kcal/mol:	44.68
Dipole, Da:	6.25
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2,6-bis(3-amino-2,3-dimethylbutoxy)-2,6-dimethylheptan-4-yl]-2-ethylcyclopropyl]butan-2-yloxymethyl]-1-methylcyclopropan-1-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=CC3=C2)C(=C)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations