Geometry & MOs

Info

ID:	420352
PubChem CID:	135112669
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	5.54
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)N3C[C@H]([C@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations