Geometry & MOs

Info

ID:	323815
PubChem CID:	126676252
Reduced:	N7C22H23 (1)
Stoich.:	A7B22C23 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	170.26
Dipole, Da:	3.43
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C)CC1=CC=CC=C1)/CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations