Geometry & MOs

Info

ID:	405131
PubChem CID:	135072660
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	10.15
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations