Geometry & MOs

Info

ID:	381844
PubChem CID:	134972692
Reduced:	OH13C18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	72.07
Dipole, Da:	3.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.116427
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(4S,5S)-5-chloro-2-methyloct-7-en-4-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=CC=C[CH]3

DOS

IR

Vibrations