Geometry & MOs

Info

ID:	330676
PubChem CID:	127248083
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	2.04
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(C2)(CN3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations