Geometry & MOs

Info

ID:	218564
PubChem CID:	85089625
Reduced:	O2N4C11H20 (2)
Stoich.:	A2B4C11D20 (2)
Weight, g/mol:	480.331171
ΔH_f, kcal/mol:	-185.92
Dipole, Da:	10.65
IP(EA), eV:	-8.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino]-1-oxo-3-(1H-pyrazol-5-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)CN

DOS

IR

Vibrations