Geometry & MOs

Info

ID:	253063
PubChem CID:	103115797
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	60.41
Dipole, Da:	4.82
IP(EA), eV:	-9.46(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN)CNC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations