Geometry & MOs

Info

ID:	407509
PubChem CID:	135080254
Reduced:	INC14H16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	253.10791
ΔH_f, kcal/mol:	44.12
Dipole, Da:	2.07
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-dimethoxyphosphorylethyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H](C(=C2C1)C3=CN=CC=C3)CI

DOS

IR

Vibrations