Geometry & MOs

Info

ID:	145592
PubChem CID:	53550794
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	3.1
IP(EA), eV:	-9.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)N2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations