Geometry & MOs

Info

ID:	201783
PubChem CID:	79582516
Reduced:	ClNSC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	3.81
IP(EA), eV:	-8.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-nitrophenyl)methyl]-4-methylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CSCC1=C(C=CC(=C1)Cl)N

DOS

IR

Vibrations