Geometry & MOs

Info

ID:	11592
PubChem CID:	118059
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	2.91
IP(EA), eV:	-8.53(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-[ethoxy(phenyl)methyl]-5,6-dihydro-4H-pyrimidine

Drug info:

PubChemData

Smile

CCCCN1CCCN=C1C(C2=CC=CC=C2)OCC

DOS

IR

Vibrations