Geometry & MOs

Info

ID:	232450
PubChem CID:	87576210
Reduced:	ClIN4C8H8 (1)
Stoich.:	ABC4D8E8 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	63.24
Dipole, Da:	4.23
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(aminomethyl)-1,5-diisocyanatopentan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1N=C(N=C2Cl)N)I

DOS

IR

Vibrations