Geometry & MOs

Info

ID:	439249
PubChem CID:	135229016
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	53.51
Dipole, Da:	1.69
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-3-butylpyrazol-1-yl)-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(CC1C2=CC=CC=C2C3=CN(N13)C)C4CCNCC4

DOS

IR

Vibrations