Geometry & MOs

Info

ID:	232253
PubChem CID:	87575814
Reduced:	ClO3N7C23H30 (1)
Stoich.:	AB3C7D23E30 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	3.46
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[bis(2-isocyanatoethyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CC(C3=C2N=C(N=C3Cl)N)CC(=O)N4CCCC(C4)C(=O)N

DOS

IR

Vibrations