Geometry & MOs

Info

ID:	338719
PubChem CID:	127259730
Reduced:	BrN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	217.050395
ΔH_f, kcal/mol:	86.78
Dipole, Da:	6.21
IP(EA), eV:	-8.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl) ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=NC2=CC=C(C=C2)Br

DOS

IR

Vibrations