Geometry & MOs

Info

ID:	425815
PubChem CID:	135128110
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	340.157563
ΔH_f, kcal/mol:	60.5
Dipole, Da:	6.29
IP(EA), eV:	-8.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[3-(7-methyl-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)phenoxy]methyl]indazole

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(N=C2NC)C3=CN=CC=C3)C4=CCCC(=C4)OC

DOS

IR

Vibrations