Geometry & MOs

Info

ID:	207548
PubChem CID:	80413056
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	2.02
IP(EA), eV:	-8.96(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)phenyl]-N,1-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1=CC=CC=C1CN

DOS

IR

Vibrations