Geometry & MOs

Info

ID:	422498
PubChem CID:	135117932
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	7.6
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)N(CCO)CC3=CN=C(N3)C

DOS

IR

Vibrations