Geometry & MOs

Info

ID:	343512
PubChem CID:	127266685
Reduced:	N7C16H19 (1)
Stoich.:	A7B16C19 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	107.34
Dipole, Da:	3.55
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-[(3-nitropyridin-2-yl)amino]pentan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NCCCC3=NC=NN3C

DOS

IR

Vibrations