Geometry & MOs

Info

ID:	274753
PubChem CID:	103811494
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	2.07
IP(EA), eV:	-8.45(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)COCCN)C

DOS

IR

Vibrations