Geometry & MOs

Info

ID:	253058
PubChem CID:	103115779
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-9.57
Dipole, Da:	4.96
IP(EA), eV:	-8.6(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)phenyl]-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCN(CC2)CCCCCN

DOS

IR

Vibrations