Geometry & MOs

Info

ID:	233882
PubChem CID:	92126163
Reduced:	OF3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	-173.12
Dipole, Da:	3.0
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations