Geometry & MOs

Info

ID:	449035
PubChem CID:	135295423
Reduced:	IOSN5C15H16 (1)
Stoich.:	ABCD5E15F16 (1)
Weight, g/mol:	245.189198
ΔH_f, kcal/mol:	64.3
Dipole, Da:	1.57
IP(EA), eV:	-8.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethylpyrrolidin-1-yl)methyl]-N-prop-1-en-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)C)C2=NC(=NC3=C2SC=C3I)N4CCOCC4

DOS

IR

Vibrations