Geometry & MOs

Info

ID:	402386
PubChem CID:	135055788
Reduced:	OC22H22 (1)
Stoich.:	AB22C22 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	21.13
Dipole, Da:	2.01
IP(EA), eV:	-9.24(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-methylphenyl)-2-nitrobutyl]carbamate

Drug info:

PubChemData

Smile

C[C@@](CO)(C1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations