Geometry & MOs

Info

ID:	159905
PubChem CID:	57288875
Reduced:	NPCl2O5C18H27 (1)
Stoich.:	ABC2D5E18F27 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-261.45
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767659
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethoxy-2-(2-methylheptan-2-yl)benzene

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NCC(=O)C[P+](C[C@H]2CC[C@H](C(C2)O)O)(O)O

DOS

IR

Vibrations