Geometry & MOs

Info

ID:	265458
PubChem CID:	103523396
Reduced:	BrNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	355.11469
ΔH_f, kcal/mol:	-25.98
Dipole, Da:	1.49
IP(EA), eV:	-8.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(CSC2=CC=CC=C2)N)OC)Br

DOS

IR

Vibrations