Geometry & MOs

Info

ID:	397438
PubChem CID:	135030220
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-157.37
Dipole, Da:	3.96
IP(EA), eV:	-8.66(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R,3R)-3-hydroxyhex-5-yn-2-yl]-N-(phenylmethoxycarbonylamino)carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCCC/C=C/CCC(=O)OC

DOS

IR

Vibrations