Geometry & MOs

Info

ID:	274200
PubChem CID:	103807688
Reduced:	FN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	6.58
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN)CN(C)C(=O)C1=C(C=C(C=C1)OC)F

DOS

IR

Vibrations