Geometry & MOs

Info

ID:	321859
PubChem CID:	126667088
Reduced:	NOC7H15 (1)
Stoich.:	ABC7D15 (1)
Weight, g/mol:	457.222623
ΔH_f, kcal/mol:	-72.98
Dipole, Da:	1.97
IP(EA), eV:	-9.34(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[4-(1,2-benzoxazol-3-yl)pyrimidin-2-yl]-4-methoxy-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@@H]([C@H]1C)N)O

DOS

IR

Vibrations