Geometry & MOs

Info

ID:	399208
PubChem CID:	135038734
Reduced:	ClN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	66.09
Dipole, Da:	3.77
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-3-methylpent-4-enyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1Cl)NC2=CC=CC=C2)N)C#N

DOS

IR

Vibrations