Geometry & MOs

Info

ID:	223463
PubChem CID:	85335077
Reduced:	SN7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	376.203845
ΔH_f, kcal/mol:	124.63
Dipole, Da:	5.76
IP(EA), eV:	-8.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methoxy-2-methyl-3-[(4-pentylphenyl)methylidene]inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=NC3=CC=CC=C32)NC4=CC5=C(C=C4)N=CS5

DOS

IR

Vibrations