Geometry & MOs

Info

ID:	233881
PubChem CID:	92126162
Reduced:	O2N5C24H33 (1)
Stoich.:	A2B5C24D33 (1)
Weight, g/mol:	433.208945
ΔH_f, kcal/mol:	-60.27
Dipole, Da:	3.33
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)NCCC4=CC=C(C=C4)OC

DOS

IR

Vibrations