Geometry & MOs

Info

ID:	70783
PubChem CID:	48413867
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	346.154209
ΔH_f, kcal/mol:	24.36
Dipole, Da:	9.61
IP(EA), eV:	-9.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations