Geometry & MOs

Info

ID:	403883
PubChem CID:	135062363
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	397.199078
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	1.72
IP(EA), eV:	-9.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=O)[C@H]2[C@H](C[C@H]([C@H]2C1=O)/C=C/C3=CC=CC=C3)C=C

DOS

IR

Vibrations