Geometry & MOs

Info

ID:	397935
PubChem CID:	135031063
Reduced:	OPH17C22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	60.93
Dipole, Da:	5.76
IP(EA), eV:	-8.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=CC=CC=CC4=C3

DOS

IR

Vibrations