Geometry & MOs

Info

ID:	427741
PubChem CID:	135161863
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	197.21435
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	7.03
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpent-4-enyl)heptan-4-amine

Drug info:

PubChemData

Smile

CN1[C@H]2C(=CS(=O)[C@]2(C1=O)[C@H]([C@H]3CCCC=C3)O)CCCl

DOS

IR

Vibrations