Geometry & MOs

Info

ID:	159547
PubChem CID:	57288440
Reduced:	O3H26C32 (1)
Stoich.:	A3B26C32 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	9.55
Dipole, Da:	2.64
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(pyrrolidin-2-ylmethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COC2=C(C=CC(=C21)OC3=C4CCOC4=C(C=C3)C=CC5=CC=CC=C5)C=CC6=CC=CC=C6

DOS

IR

Vibrations