Geometry & MOs

Info

ID:	425776
PubChem CID:	135127925
Reduced:	FN4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	379.242376
ΔH_f, kcal/mol:	70.97
Dipole, Da:	6.22
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC2=CCC(C=C21)C3=CC(=CC=C3)F)C4CC=CN=C4

DOS

IR

Vibrations