Geometry & MOs

Info

ID:	291564
PubChem CID:	113443775
Reduced:	BrO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	13.31
Dipole, Da:	5.91
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(3-propoxypropylamino)benzonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1OC2=C(C=C(C=C2)OC)Br)NN

DOS

IR

Vibrations