Geometry & MOs

Info

ID:	439703
PubChem CID:	135229506
Reduced:	NO2H47C72 (1)
Stoich.:	AB2C47D72 (1)
Weight, g/mol:	238.121846
ΔH_f, kcal/mol:	216.28
Dipole, Da:	2.21
IP(EA), eV:	-7.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(2-methylpyridin-4-yl)-1H-indazol-5-amine

Drug info:

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC2=C7C=CC3=CC=CC=C32)C2=CC=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21)C

DOS

IR

Vibrations