Geometry & MOs

Info

ID:	338117
PubChem CID:	127258809
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	0.75
IP(EA), eV:	-8.24(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-methylsulfanylphenyl) N-[(E)-pent-1-enyl]carbamate

Drug info:

PubChemData

Smile

CCC/C=C/NC(=O)OC1=CC=CC(=C1)N(C)C

DOS

IR

Vibrations