Geometry & MOs

Info

ID:	422583
PubChem CID:	135118081
Reduced:	ClN4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	19.25
Dipole, Da:	5.66
IP(EA), eV:	-8.47(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCC(CC2)N3CCCC3)Cl

DOS

IR

Vibrations