Geometry & MOs

Info

ID:	187036
PubChem CID:	77523160
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	666.39925
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	2.87
IP(EA), eV:	-8.8(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(benzylcarbamoylamino)-cyclopropylmethyl]-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3C(C1C4CC4C2=O)CC=C5C3(CC(C(=C5)OC)C#N)C

DOS

IR

Vibrations