Geometry & MOs

Info

ID:	330629
PubChem CID:	127248036
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	4.37
IP(EA), eV:	-8.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethylpyrazol-4-yl)-1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CCC(C3)(CN4CCCC4)O

DOS

IR

Vibrations