Geometry & MOs

Info

ID:	449626
PubChem CID:	135300135
Reduced:	FO2N8H33C34 (1)
Stoich.:	AB2C8D33E34 (1)
Weight, g/mol:	326.293328
ΔH_f, kcal/mol:	84.55
Dipole, Da:	6.55
IP(EA), eV:	-8.73(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-methyl-3-[5-[methyl(propyl)amino]hexan-2-yl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CN=CC4=N/C(=C\5/C6=C(NN5)N=CC(=C6)C7=CC(=CN=C7)NC(C8CC8)O)/C=C34)F

DOS

IR

Vibrations