Geometry & MOs

Info

ID:	382202
PubChem CID:	134973193
Reduced:	BrO2N6C19H21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	319.157229
ΔH_f, kcal/mol:	4.62
Dipole, Da:	10.2
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethoxy-N-(pyren-1-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CN(C)/C=N\C1=NC2=C(C(=O)N1CC3=CC=CC=C3)N=C(N2C4CCCO4)Br

DOS

IR

Vibrations