Geometry & MOs

Info

ID:	262032
PubChem CID:	103266922
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	4.87
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC(C2=CC=CC=C2)C(=O)O)C

DOS

IR

Vibrations