Geometry & MOs

Info

ID:	161089
PubChem CID:	57390730
Reduced:	NO4H19C25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	342.25588
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	5.66
IP(EA), eV:	-9.3(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-pentadec-1-ynylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C4=CC=CC=C42)OC(=O)C(=C3)C(=O)NC

DOS

IR

Vibrations