Geometry & MOs

Info

ID:	273570
PubChem CID:	103771394
Reduced:	BrNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	1.26
IP(EA), eV:	-9.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC(CC(C)C)O)Br

DOS

IR

Vibrations