Geometry & MOs

Info

ID:	69764
PubChem CID:	47205348
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	6.31
IP(EA), eV:	-9.95(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-cyanopropyl(methyl)carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CC(C)C#N)[N+](=O)[O-]

DOS

IR

Vibrations