Geometry & MOs

Info

ID:	291723
PubChem CID:	113460560
Reduced:	NSBr2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	312.12011
ΔH_f, kcal/mol:	44.57
Dipole, Da:	2.97
IP(EA), eV:	-9.0(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-bromo-5-methylphenyl)methyl]-N-tert-butyl-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(C2=CC(=C(S2)Br)C)NC

DOS

IR

Vibrations