Geometry & MOs

Info

ID:	306426
PubChem CID:	125011667
Reduced:	SN3O4C12H25 (1)
Stoich.:	AB3C4D12E25 (1)
Weight, g/mol:	336.206245
ΔH_f, kcal/mol:	-172.42
Dipole, Da:	2.35
IP(EA), eV:	-8.83(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H]1CN(CCN(C1)S(=O)(=O)C)CCOC

DOS

IR

Vibrations