Geometry & MOs

Info

ID:	184883
PubChem CID:	77223783
Reduced:	NSO4C22H35 (1)
Stoich.:	ABC4D22E35 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	-163.99
Dipole, Da:	3.5
IP(EA), eV:	-8.31(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(pyrrolidin-2-ylmethylamino)pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1(OCC(O1)COC2=CC=C(C=C2)CCCC(C=C)NS(=O)C(C)(C)C)C

DOS

IR

Vibrations