Geometry & MOs

Info

ID:	176720
PubChem CID:	76088008
Reduced:	NO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	595.358114
ΔH_f, kcal/mol:	-255.91
Dipole, Da:	4.91
IP(EA), eV:	-10.71(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzonitrile;tert-butyl N-[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCC(C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)O)C(=O)O

DOS

IR

Vibrations