Geometry & MOs

Info

ID:	442045
PubChem CID:	135248436
Reduced:	NOC5H9 (5)
Stoich.:	ABC5D9 (5)
Weight, g/mol:	576.425071
ΔH_f, kcal/mol:	-241.12
Dipole, Da:	2.75
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-cyclohexyl-N-[3-[3-[5-ethyl-1-(oxan-2-yl)pyrazol-3-yl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCC1=NC(=NO1)CN)CCCN(C2CCCCC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations