Geometry & MOs

Info

ID:	291724
PubChem CID:	113460575
Reduced:	BrN2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	312.12011
ΔH_f, kcal/mol:	-7.72
Dipole, Da:	3.0
IP(EA), eV:	-8.73(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)CN(C)CCNC(C)(C)C

DOS

IR

Vibrations