Geometry & MOs

Info

ID:	49346
PubChem CID:	11532883
Reduced:	O2N5C28H31 (1)
Stoich.:	A2B5C28D31 (1)
Weight, g/mol:	469.224453
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	4.93
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)-6-propylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC5=C(C=C4)NNC5=O

DOS

IR

Vibrations