Geometry & MOs

Info

ID:	56845
PubChem CID:	22394358
Reduced:	ClSO2N4C26H29 (1)
Stoich.:	ABC2D4E26F29 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	27.13
Dipole, Da:	3.64
IP(EA), eV:	-8.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-piperidin-4-ylpropyl)carbamic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(N2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)N5CCC(CC5)NC(C)C

DOS

IR

Vibrations