Geometry & MOs

Info

ID:	233877
PubChem CID:	92126157
Reduced:	O2F3N4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-206.44
Dipole, Da:	6.61
IP(EA), eV:	-8.63(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-3-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)COC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations