Geometry & MOs

Info

ID:	163497
PubChem CID:	58005309
Reduced:	SN2O3H18C24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	182.061076
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	3.72
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-N-cyclopropylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

[C-]#[N+]C1=CC=C(C2=CC=CC=C21)OC3=CC4=C(C=C3)[C@@H](CCC4)C5C(=O)NC(=O)S5

DOS

IR

Vibrations