Geometry & MOs

Info

ID:	158991
PubChem CID:	57244385
Reduced:	F4N4O5H24C25 (1)
Stoich.:	A4B4C5D24E25 (1)
Weight, g/mol:	189.147727
ΔH_f, kcal/mol:	-263.44
Dipole, Da:	4.57
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2,2-diaminopropyl)carbamate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=C2F)OC(CCF)F)F)OC3=C(C=CC(=C3)C(=N)N)OC

DOS

IR

Vibrations