Geometry & MOs

Info

ID:	418463
PubChem CID:	135104958
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	2.08
IP(EA), eV:	-8.4(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)CCO

DOS

IR

Vibrations