Geometry & MOs

Info

ID:	422889
PubChem CID:	135118572
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	56.74
Dipole, Da:	2.83
IP(EA), eV:	-9.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN2CCCN(CC2)C(=O)C3=CN=C(N=C3)C4CC4

DOS

IR

Vibrations