Geometry & MOs

Info

ID:	233876
PubChem CID:	92126156
Reduced:	O3N5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	448.208611
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	4.07
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)C4CC(=O)N(C4)C5CCOCC5

DOS

IR

Vibrations