Geometry & MOs

Info

ID:	249335
PubChem CID:	103088677
Reduced:	FNSCl2O3C11H14 (1)
Stoich.:	ABCD2E3F11G14 (1)
Weight, g/mol:	216.16602
ΔH_f, kcal/mol:	-174.97
Dipole, Da:	4.36
IP(EA), eV:	-10.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(cyclopropylmethyl)-2-N-methyl-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(CCNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)O

DOS

IR

Vibrations