Geometry & MOs

Info

ID:	310772
PubChem CID:	126587384
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	6.7
IP(EA), eV:	-9.21(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-acetamidophenyl)-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(CO)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)N)C3=CC=CC=N3

DOS

IR

Vibrations