Geometry & MOs

Info

ID:	420048
PubChem CID:	135110887
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	5.57
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NC2(CCCC2)C(=O)O)C

DOS

IR

Vibrations