Geometry & MOs

Info

ID:	233885
PubChem CID:	92126166
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	1.29
IP(EA), eV:	-8.94(-0.39)
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]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)CC4=CC=CS4

DOS

IR

Vibrations