Geometry & MOs

Info

ID:	222623
PubChem CID:	85305637
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	382.22162
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	7.42
IP(EA), eV:	-9.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-amino-3-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-oxopropyl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

C1C(N(C(=O)O1)C(=O)C(C(CCCO)C2=CC=CC=C2)N)CC3=CC=CC=C3

DOS

IR

Vibrations