Geometry & MOs

Info

ID:	31789
PubChem CID:	3718198
Reduced:	NCl2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	451.212375
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	3.06
IP(EA), eV:	-8.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-(3,4,5-trimethoxyphenyl)methanol

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)OC)NCCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations