Geometry & MOs

Info

ID:	196725
PubChem CID:	78869995
Reduced:	SN4O4H14C16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	3.71
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

DOS

IR

Vibrations