Geometry & MOs

Info

ID:	416114
PubChem CID:	135089122
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	3.04
IP(EA), eV:	-8.2(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(C)N(C)CC(=O)NC2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations