Geometry & MOs

Info

ID:	126796
PubChem CID:	50979346
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	3.22
IP(EA), eV:	-9.2(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(furan-2-ylmethyl)-2,4-dimethylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)(C1=C)C(=O)N3CCC(C3)COC)C

DOS

IR

Vibrations