Geometry & MOs

Info

ID:	191892
PubChem CID:	78197920
Reduced:	N3O3C10H21 (2)
Stoich.:	A3B3C10D21 (2)
Weight, g/mol:	616.415255
ΔH_f, kcal/mol:	-303.49
Dipole, Da:	5.42
IP(EA), eV:	-9.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[5-[(4-tert-butylphenyl)methyl]-2-ethylpyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

C(CCN)CC(COC(=O)NC(CCCCN)COC(=O)O)NC(=O)CNCCCCN

DOS

IR

Vibrations