Geometry & MOs

Info

ID:	423177
PubChem CID:	135119053
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	383.162725
ΔH_f, kcal/mol:	-142.1
Dipole, Da:	6.51
IP(EA), eV:	-8.72(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(3S,4S)-4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]oxolan-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(N(N=C2C)C(C)C)C)C(=O)O

DOS

IR

Vibrations