Geometry & MOs

Info

ID:	287324
PubChem CID:	104236621
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	369.01312
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	4.36
IP(EA), eV:	-9.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-bromo-2-methoxyphenyl)methoxy]-3-chlorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCOC1=C(C=C(C=C1)C(C)N)Cl

DOS

IR

Vibrations