Geometry & MOs

Info

ID:	361431
PubChem CID:	127303410
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	6.73
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=CS2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations