Geometry & MOs

Info

ID:	233872
PubChem CID:	92098561
Reduced:	BrO2N5H16C17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	21.28
Dipole, Da:	4.59
IP(EA), eV:	-10.11(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1H-imidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC(=CN=C2)Br)OC3=NC=CN=C3C#N

DOS

IR

Vibrations