Geometry & MOs

Info

ID:	218908
PubChem CID:	85090144
Reduced:	NO2C26H40 (1)
Stoich.:	AB2C26D40 (1)
Weight, g/mol:	525.26441
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755062
Charge, e:	0

Chem-info

IUPAC name:

1-[diethoxymethyl(ethoxy)phosphoryl]-3-(tritylamino)butan-2-ol

Drug info:

PubChemData

Smile

CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCCC3C4=CC=CC=C4)CC(C)C

DOS

IR

Vibrations