Geometry & MOs

Info

ID:	123574
PubChem CID:	50854580
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	10.33
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-cyclohexylpyrrol-3-yl)methylideneamino]benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)C=NC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations