Geometry & MOs

Info

ID:	401410
PubChem CID:	135051195
Reduced:	NC23H25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	290.96771
ΔH_f, kcal/mol:	47.14
Dipole, Da:	1.66
IP(EA), eV:	-8.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[amino-[(4-nitrophenyl)methylsulfanyl]methylidene]azanium;bromide

Drug info:

PubChemData

Smile

CCCCC1CN(C2=C1C=CC3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations