Geometry & MOs

Info

ID:	416805
PubChem CID:	135090445
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	20.08
Dipole, Da:	2.66
IP(EA), eV:	-8.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)phenyl]-1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)CN2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C)C

DOS

IR

Vibrations