Geometry & MOs

Info

ID:	306239
PubChem CID:	125003171
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	300.206245
ΔH_f, kcal/mol:	4.17
Dipole, Da:	6.43
IP(EA), eV:	-7.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[2-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC2=CC=CC(=N2)[C@H]3CN(CCO3)C(=O)C4=NNC5=C4CCCCC5

DOS

IR

Vibrations