Geometry & MOs

Info

ID:	418390
PubChem CID:	135104497
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	37.95
Dipole, Da:	2.92
IP(EA), eV:	-8.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(dimethylamino)methyl]phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)N2CCN(CC2)CC3=CC=CO3)C

DOS

IR

Vibrations