Geometry & MOs

Info

ID:	185803
PubChem CID:	77349616
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	466.177168
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	2.45
IP(EA), eV:	-9.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-[aminomethyl(butyl)amino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide

Drug info:

PubChemData

Smile

C1C(NCC1(CC(C2=CC=CC=C2)(C3=CC=CC=C3)N)C(=O)O)C(=O)O

DOS

IR

Vibrations