Geometry & MOs

Info

ID:	171903
PubChem CID:	75438981
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	1.56
IP(EA), eV:	-8.41(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1CN(CC(S1)C)CC2=C(N(N=C2C)CCC(=O)OC)C

DOS

IR

Vibrations