Geometry & MOs

Info

ID:	287985
PubChem CID:	104304475
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	4.36
IP(EA), eV:	-8.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(aminomethyl)phenyl]-N-[4-(hydroxymethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(O1)C(CC2=CC(=NC=N2)OC)Br

DOS

IR

Vibrations