Geometry & MOs

Info

ID:	287867
PubChem CID:	104296813
Reduced:	NSBr2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	345.10921
ΔH_f, kcal/mol:	45.47
Dipole, Da:	2.66
IP(EA), eV:	-9.11(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=C(SC(=C2)Br)C)NC)Br

DOS

IR

Vibrations