Geometry & MOs

Info

ID:	46033
PubChem CID:	10520654
Reduced:	N5C20H23 (1)
Stoich.:	A5B20C23 (1)
Weight, g/mol:	333.212406
ΔH_f, kcal/mol:	72.14
Dipole, Da:	2.12
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,1S)-3-phenyl-1-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C(C=C(C=C3)C)C)C

DOS

IR

Vibrations