Geometry & MOs

Info

ID:	380939
PubChem CID:	134971546
Reduced:	OC13H21 (2)
Stoich.:	AB13C21 (2)
Weight, g/mol:	469.178312
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	2.87
IP(EA), eV:	-9.18(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diethoxyphosphoryl-N-[(R)-diethoxyphosphoryl(phenyl)methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CC1=CC[C@H]2[C@]([C@@H]1CC/C(=C/C(=O)OC)/C)(CCC3[C@@]2(CCCC3(C)C)C)C

DOS

IR

Vibrations