Geometry & MOs

Info

ID:	420312
PubChem CID:	135112386
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	3.49
IP(EA), eV:	-8.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-3-ylmethyl)-N,2-dimethyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CCN(C)CC(=O)NC3=NN=C(S3)COC

DOS

IR

Vibrations