Geometry & MOs

Info

ID:	287857
PubChem CID:	104296534
Reduced:	BrO4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	-95.18
Dipole, Da:	2.7
IP(EA), eV:	-9.84(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(4-ethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CC=C(O2)C(=O)OC)Br

DOS

IR

Vibrations