Geometry & MOs

Info

ID:	404996
PubChem CID:	135072105
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	341.118257
ΔH_f, kcal/mol:	-29.63
Dipole, Da:	5.44
IP(EA), eV:	-9.6(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[2-(4-chlorophenyl)ethynyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CC=C1)C(=O)CNC(=O)NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations