Geometry & MOs

Info

ID:	216394
PubChem CID:	85086157
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	10.31
Dipole, Da:	6.73
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylhex-5-en-3-yl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C=CCN1CCNC1=CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations