Geometry & MOs

Info

ID:	407394
PubChem CID:	135080017
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	455.0271
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	4.57
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC=C1OC(=O)C(C)(C)C

DOS

IR

Vibrations