Geometry & MOs

Info

ID:	225240
PubChem CID:	85752865
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	327.089543
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	6.17
IP(EA), eV:	-8.93(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(3-nitrophenyl)ethynyl]phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations