Geometry & MOs

Info

ID:	45381
PubChem CID:	10512384
Reduced:	NO2C4H8 (2)
Stoich.:	AB2C4D8 (2)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	2.69
IP(EA), eV:	-9.58(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-pent-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O

DOS

IR

Vibrations