Geometry & MOs

Info

ID:	142332
PubChem CID:	53017895
Reduced:	BrO3N6H17C22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	83.19
Dipole, Da:	3.76
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methylphenyl)-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)N3C(=O)C4C(C3=O)N(N=N4)CC5=NC(=NO5)C6=CC=CC=C6Br

DOS

IR

Vibrations