Geometry & MOs

Info

ID:	323362
PubChem CID:	126674544
Reduced:	ON5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	408.26376
ΔH_f, kcal/mol:	15.86
Dipole, Da:	2.16
IP(EA), eV:	-8.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[3-amino-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/C1=CC(=C(N=C1)N)C(=O)N

DOS

IR

Vibrations