Geometry & MOs

Info

ID:	146320
PubChem CID:	53669700
Reduced:	PO4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-168.56
Dipole, Da:	7.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754535
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(3-amino-3a,7a-dihydro-1,2-benzoxazol-6-yl)oxy]propoxy]-3-methoxy-N,N-di(propan-2-yl)benzamide

Drug info:

PubChemData

Smile

CCOC(CCCC1=CC=CC=C1)[P+](=O)CC(=O)O

DOS

IR

Vibrations