Geometry & MOs

Info

ID:	58202
PubChem CID:	24434770
Reduced:	ClO2N5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	35.86
Dipole, Da:	8.16
IP(EA), eV:	-8.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N/N=C/C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations