Geometry & MOs

Info

ID:	49735
PubChem CID:	11533685
Reduced:	N4O5C29H34 (1)
Stoich.:	A4B5C29D34 (1)
Weight, g/mol:	518.290643
ΔH_f, kcal/mol:	-185.61
Dipole, Da:	6.34
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-2H-indazol-5-yl)-N-[(3-phenylphenyl)methyl]-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=O)NCC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C

DOS

IR

Vibrations