Geometry & MOs

Info

ID:	434414
PubChem CID:	135174898
Reduced:	N3O6C16H25 (1)
Stoich.:	A3B6C16D25 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-240.91
Dipole, Da:	8.1
IP(EA), eV:	-9.64(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[3-(2-methylpropoxy)-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

DOS

IR

Vibrations