Geometry & MOs

Info

ID:	123138
PubChem CID:	50834955
Reduced:	ClO3N5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	475.221954
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	11.44
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(=O)N(CC1=NN(C2=C1CN(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC)C)C4=CC=CC=C4

DOS

IR

Vibrations