Geometry & MOs

Info

ID:	44137
PubChem CID:	10501060
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	398.278072
ΔH_f, kcal/mol:	44.6
Dipole, Da:	2.45
IP(EA), eV:	-8.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[(3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(N3)C5=C(C=CC(=C5)OC)C=C4

DOS

IR

Vibrations